sodium 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate

Systemtic Name: sodium 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate Openeye Name: sodium 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate CAS Name: sodium 2-[oxo-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzenesulfonate IUPAC Name: sodium 2-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate Traditional Name: sodium 2-[(5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]besylate Formula: C9H7N4NaO4S2 MolecularWeight: 322.29605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NN2C=NNC2=S)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H8N4O4S2.Na/c14-8(12-13-5-10-11-9(13)18)6-3-1-2-4-7(6)19(15,16)17;/h1-5H,(H,11,18)(H,12,14)(H,15,16,17);/q;+1/p-1